Home Halogens Benzonitrile, 3-chloro-2-formyl-

Benzonitrile, 3-chloro-2-formyl-

CAS No.:
1256561-76-8
Catalog Number:
AG000O9K
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
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Product Description
Catalog Number:
AG000O9K
Chemical Name:
Benzonitrile, 3-chloro-2-formyl-
CAS Number:
1256561-76-8
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD16251143
IUPAC Name:
3-chloro-2-formylbenzonitrile
InChI:
InChI=1S/C8H4ClNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H
InChI Key:
XUBCIKLKCYMPBA-UHFFFAOYSA-N
SMILES:
O=Cc1c(C#N)cccc1Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties